Benzoic Acid: Vibrational Frequencies



This page shows an accurate representation of the vibrational frequencies of Benzoic Acid based on the experimental observations of the DZV level of theory.



 



To view animation, click "here" on picture, right click, select "vibration", then select "on".

Jmol model of Mode 1: OH at Frequency = 4037.57 cm^-1.
 



To view animation, click "here" on picture, right click, select "vibration", then select "on".

Jmol model of Mode 2: CH at Frequency = 3454.04 cm^-1.
 



To view animation, click "here" on picture, right click, select "vibration", then select "on".

Jmol model of Mode 3: CH at Frequency = 3441.7 cm^-1.
 



To view animation, click "here" on picture, right click, select "vibration", then select "on".

Jmol model of Mode 4: CH at Frequency = 3427.6802 cm^-1.
 



To view animation, click "here" on picture, right click, select "vibration", then select "on".

Jmol model of Mode 5: CH at Frequency = 3414.99 cm^-1.
 



To view animation, click "here" on picture, right click, select "vibration", then select "on".

Jmol model of Mode 6: CH at Frequency = 3401.02 cm^-1.



IR Spectrum of Benzoic Acid
vibrational spectrum
Figure 1: The graph represents the infrared spectrum of Benzoic Acid.

Table 1: The data represents the relationship between the experimental frequencies and the literature values.  All literature values are from NIST.
Vibrational Frequency (cm^-1)
Correlating Literature Value (cm^-1)
4037.57
4095
3454.04
3394
3441.7
3390
3427.6802
3367
3414.99
3356
3401.02
3340

As can be seen from the data in Table 1, the experimental vibrational frequencies are fairly accurate when compared to the literature values.



Based on template by A. Herráez as modified by J. Gutow
Page skeleton and JavaScript generated by export to web function using Jmol 12.0.26 2010-11-06 14:33 on Mar 9, 2011.